NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 55 D 4.6110 8.3493 120.1828 54.8428 42.2596 174.6691 56 C 4.4503 8.1823 109.7317 57.0966 32.5947 172.6404 57 S 4.1882 7.8026 117.0282 57.8315 63.3678 173.8386 58 P 4.4286 0.0000 0.0000 64.1971 31.6526 176.8537 59 G 4.1044 7.9774 107.6529 46.3780 0.0000 172.6082 60 I 4.9066 7.3822 122.6281 59.9393 38.7690 174.9830 61 W 5.2001 9.2988 126.3672 54.8290 33.3405 174.0132 62 Q 5.2125 9.4000 124.3994 54.3476 31.0149 173.9175 63 L 5.2517 9.2502 128.6620 53.2413 44.3416 174.2221 64 D 4.5783 8.9937 131.0292 53.6023 45.4608 175.1056 *66 T 4.4303 8.4803 115.4448 63.1220 70.7467 172.5382 67 H 5.4002 8.5486 118.1458 54.1684 31.6867 173.9826 68 L 4.3482 9.3786 122.9656 55.3464 45.3904 174.9754 69 E 3.8348 9.7182 125.3494 57.6555 27.0059 175.0575 70 G 3.9730 8.4837 102.0140 46.1616 0.0000 173.7930 71 K 4.6239 8.2584 118.5379 54.0626 35.5236 174.8376 72 V 4.7088 8.0386 119.4696 61.2400 33.9299 174.0460 73 I 4.8694 8.7863 128.9714 59.3948 39.4656 174.7952 74 L 4.3391 9.0106 130.4445 54.0870 43.4772 175.2684 75 V 4.8673 9.0574 126.4668 61.0478 34.1836 173.7227 76 A 5.3809 9.5534 130.2700 50.2948 21.6777 175.1715 77 V 4.7126 9.2742 122.9069 61.0692 34.5076 174.0805 78 H 3.2460 8.9008 128.9937 55.4602 28.5079 175.9055 79 V 3.3578 7.8925 126.4092 65.9235 31.5631 178.1707 80 A 4.1008 7.4637 120.8412 54.2408 18.3216 178.0320 81 S 4.4356 7.2689 106.6826 57.6225 64.5031 175.6564 82 G 3.9098 8.4105 108.5725 45.0249 0.0000 172.8971 83 Y 4.4521 7.8770 122.5412 57.7107 39.6826 174.9109 84 I 5.1135 8.1551 119.4877 59.1148 40.7521 174.6286 85 E 4.9354 9.2570 122.2155 54.9292 33.3607 174.6658 86 A 5.4063 8.6461 123.3930 51.4598 22.6085 174.9269 87 E 4.8999 8.9660 115.8587 55.0479 33.4814 174.7751 88 V 4.3227 8.5289 122.0747 63.1680 32.0114 175.1186 89 I 4.5531 8.4945 121.9516 58.5637 39.4697 173.9903 90 P 4.3359 0.0000 0.0000 65.4398 31.3234 176.3843 91 A 4.5985 7.3248 116.6107 50.8023 21.9083 176.3249 92 E 4.2774 8.4344 121.6698 55.4090 28.0406 176.2847 93 T 4.8904 7.6869 113.5300 58.4082 73.7238 174.8744 94 G 3.7138 8.5894 108.0508 47.9563 0.0000 175.8287 95 Q 4.0540 8.1265 119.7771 59.0463 28.8088 178.6699 96 E 4.0988 7.9944 119.0040 59.9088 29.4419 179.7544 97 T 3.9765 8.1319 115.3972 66.6283 68.5469 176.7311 98 A 4.0558 8.5745 123.2062 55.2063 18.3956 179.0781 99 Y 4.0057 8.3095 118.0867 60.7969 38.9270 177.8364 100 F 3.9071 8.5653 121.6330 61.3373 39.4530 177.0279 101 L 3.9965 8.4184 118.6863 57.8648 41.3405 179.3912 102 L 3.9607 7.9289 118.8076 57.7314 41.1576 179.8222 103 K 3.6350 7.5587 118.1455 59.1925 31.9749 178.9984 104 L 3.5797 7.7942 120.6298 58.2099 41.7461 179.0198 105 A 4.0745 8.1280 119.4138 54.6120 18.3409 179.2111 106 G 3.6560 7.6471 102.7022 46.4162 0.0000 174.6685 107 R 4.0816 6.9827 118.6194 56.3830 31.5187 176.3817 108 W 5.1889 7.7292 115.0038 54.2116 32.8431 174.3027 109 P 4.5349 0.0000 0.0000 61.8403 29.1742 173.8837 110 V 4.1465 7.8896 119.9887 62.0905 32.0643 175.0732 111 K 4.5249 9.1874 129.5397 58.0986 33.8244 176.2374 112 T 5.2927 7.8220 108.2139 60.0731 72.7277 172.7687 113 V 5.1045 8.7799 122.6631 61.6264 34.8807 173.8797 114 H 5.4083 9.7182 127.3050 55.0085 32.7910 172.6579 115 T 4.9686 7.7768 115.3761 60.7478 70.3522 173.2932 116 D 4.6778 9.2291 124.2402 54.8834 41.4981 176.7303 117 N 4.6403 7.7370 118.1735 50.7459 39.5602 174.3902 118 G 3.6438 8.3189 114.9490 48.1473 0.0000 173.6794 119 S 4.2313 7.9098 113.7468 60.3791 63.2239 175.7480 120 N 4.1982 7.9594 119.0087 55.7567 38.2372 175.5337 121 F 5.3610 8.0018 115.6545 57.5552 39.4330 176.4467 122 T 4.3938 7.6256 113.1898 62.8498 69.7890 176.1361 123 S 4.3327 7.9294 117.6825 58.4815 64.9334 175.0723 124 T 3.8971 8.5148 120.5070 67.2352 68.2724 177.0807 125 T 3.8954 7.8468 117.1279 66.5048 68.3631 176.7292 126 V 3.6429 7.6497 118.9220 66.1051 31.6913 177.8050 127 K 4.1106 8.0345 116.5486 59.4663 32.1525 178.8764 128 A 4.3951 8.3973 120.9087 55.0189 18.2504 180.0791 129 A 4.1748 7.9978 115.6685 52.8631 18.1071 179.0513 *131 W 4.7082 7.9000 131.3251 58.6442 32.5049 177.3152 132 W 2.9987 8.9871 126.6702 60.0583 30.0751 176.7104 133 A 4.0311 8.3092 118.4600 52.2726 18.3029 177.0700 134 G 3.6376 7.3356 103.6460 46.5169 0.0000 173.5941 135 I 4.5659 7.7072 119.1778 59.4255 38.9595 175.9407 136 K 4.6733 8.8268 125.7391 54.4555 35.3562 175.1640 137 Q 4.4061 8.3739 123.7753 55.6893 29.7434 175.0329 138 E 4.1303 8.7354 128.6554 56.1081 30.1063 176.2913 139 F 5.0622 8.8477 122.9375 57.1980 40.7111 175.7885 140 G 3.8319 8.2489 108.8300 46.0243 0.0000 173.7889 141 I 4.2777 7.3961 121.1171 58.8253 38.3554 173.9086 142 P 4.6456 0.0000 0.0000 62.1507 32.2252 174.7294 143 Y 4.7176 8.3983 120.3927 56.3024 39.5714 173.5400 144 N 4.6425 7.3173 123.8798 54.2058 43.4330 175.9122 *152 E 3.9769 8.1430 119.2062 54.2874 31.0808 177.1824 153 S 3.6462 8.7072 110.3356 59.4851 61.5798 171.9171 154 M 4.1485 7.5433 123.9596 58.3150 32.3038 178.2662 155 N 4.2650 8.1207 116.4626 56.3194 38.6548 177.3837 156 K 4.0013 7.5938 120.2431 59.3108 32.1660 179.1383 157 E 3.9188 7.8822 118.9715 59.1735 29.5346 178.6602 158 L 3.9823 8.6947 120.9878 58.0823 42.0997 179.1017 159 K 4.0629 8.1163 118.5574 58.9532 31.9749 179.1820 160 K 3.8944 8.2618 120.4041 59.7370 32.3139 178.8732 161 I 4.0165 7.6535 121.2494 63.9124 37.1051 178.4465 162 I 3.8377 8.2924 121.2165 64.4943 36.7321 178.7779 163 G 3.6707 8.1516 105.4344 47.7419 0.0000 175.5218 164 Q 4.1866 8.0933 120.2380 58.1138 28.7149 177.9610 165 V 4.2665 7.5914 110.6327 60.8730 31.7562 177.4423 166 R 3.8848 7.7472 120.2425 59.6395 29.6363 177.7607 167 D 4.4593 7.9789 115.5698 55.6137 39.8566 177.0680 168 Q 4.1333 8.0201 117.9411 57.4266 28.8202 175.7568 169 A 4.6695 7.3302 119.1895 50.5118 22.5342 176.1446 170 E 3.9761 8.8419 121.7280 59.2502 30.3706 177.5143 171 H 4.8172 7.7711 115.8354 54.2800 31.1685 175.8813 172 L 4.0140 8.5956 126.5770 58.2127 41.8041 179.4499 173 K 3.9914 8.0786 118.3003 60.1664 32.4450 179.2941 174 T 3.8858 7.8858 116.1501 66.4544 68.4879 176.1785 175 A 4.0073 7.8306 122.3155 55.4265 18.2304 179.8730 176 V 3.5566 8.1520 116.7711 66.3347 31.5919 178.3724 177 Q 4.0761 7.9507 117.9397 59.0870 28.4618 178.5206 178 M 4.0266 8.2729 119.6508 58.3025 31.9858 178.6626 179 A 4.0248 8.3731 121.2111 55.1279 18.5061 179.6519 180 V 3.5643 8.1724 117.1736 66.1621 31.6578 177.9755 181 F 4.0989 8.5087 120.1940 61.3952 39.3195 177.0904 182 I 3.8715 8.2578 119.4643 64.7306 36.7527 177.6868 183 H 4.0549 8.4262 117.9094 59.6898 29.9124 176.7852 184 N 4.4955 8.5434 117.6768 55.3359 38.1487 176.9041 185 K 4.1791 7.4889 117.9043 55.7873 32.9501 176.7562 186 K 3.9832 7.4019 121.3931 56.2292 32.3511 176.0316 187 R 4.3330 8.4575 126.0249 56.2806 31.1786 177.3195 188 K 4.3842 8.0602 116.8350 56.1378 35.4430 176.6033 *193 G 3.8040 7.6994 108.4811 45.6316 0.0000 169.6599 194 Y 4.9061 7.6754 121.6647 56.8000 40.4844 175.8436 195 S 4.7932 9.1005 118.9253 57.1731 65.4199 175.1797 196 A 4.1024 8.6258 124.8169 55.6319 17.9979 180.3867 197 G 3.6814 8.4914 104.2849 48.0288 0.0000 175.8497 198 E 4.0714 8.3948 120.8940 59.0729 29.4871 179.5346 199 R 4.0582 8.3711 118.5045 59.2308 30.0722 178.9056 200 I 3.4369 7.8976 118.5275 64.2235 37.8363 178.4320 201 V 3.7334 7.4226 111.8334 64.1675 31.3027 178.1149 202 D 4.3439 8.2939 117.9179 57.4298 41.2904 178.3002 203 I 3.7002 8.1705 120.5623 64.6014 36.9248 178.6194 204 I 3.7849 7.8720 119.2283 64.3371 36.9994 178.1181 205 A 4.1718 8.4264 122.0477 55.4703 18.1851 179.8745 206 T 3.8706 8.1604 114.3969 66.5793 68.3077 176.0768 207 D 4.4471 7.7969 117.9229 56.1143 41.3310 177.6759 208 I 4.0281 7.2450 119.4135 63.6073 37.5260 175.6460 209 Q 4.2451 7.5121 121.5806 55.9225 28.8126 175.2749 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 55 D 8.35 4.61 0.00 2.61 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 C 8.18 4.45 0.00 3.09 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.80 4.19 0.00 3.87 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.43 0.00 2.26 2.16 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.19 0.00 59 G 7.98 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.38 4.91 1.79 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.95 0.92 0.00 0.00 61 W 9.30 5.20 0.00 3.32 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 9.40 5.21 0.00 2.20 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 63 L 9.25 5.25 0.00 1.82 1.80 0.84 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.99 4.58 0.00 2.56 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *66 T 8.48 4.43 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 67 H 8.55 5.40 0.00 2.97 3.24 0.00 5.93 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 9.38 4.35 0.00 1.64 1.46 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 69 E 9.72 3.83 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 70 G 8.48 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.26 4.62 0.00 1.93 1.67 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.33 7.81 72 V 8.04 4.71 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.77 0.00 0.00 73 I 8.79 4.87 1.85 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.77 0.91 0.00 0.00 74 L 9.01 4.34 0.00 1.48 1.06 0.62 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 75 V 9.06 4.87 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.91 0.00 0.00 76 A 9.55 5.38 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 9.27 4.71 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.96 0.00 0.00 78 H 8.90 3.25 0.00 1.40 2.61 0.00 5.65 0.00 0.00 0.00 0.00 6.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.89 3.36 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.92 0.00 0.00 80 A 7.46 4.10 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.27 4.44 0.00 3.91 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.41 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 7.88 4.45 0.00 3.17 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 I 8.16 5.11 1.80 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.68 0.84 0.00 0.00 85 E 9.26 4.94 0.00 2.21 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.73 0.00 86 A 8.65 5.41 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.97 4.90 0.00 2.14 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.46 0.00 88 V 8.53 4.32 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.98 0.00 0.00 89 I 8.49 4.55 2.04 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.80 1.00 0.00 0.00 90 P 0.00 4.34 0.00 2.05 2.16 0.00 4.02 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 91 A 7.32 4.60 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.43 4.28 0.00 1.93 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 93 T 7.69 4.89 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 94 G 8.59 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.13 4.05 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 96 E 7.99 4.10 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.77 0.00 97 T 8.13 3.98 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 98 A 8.57 4.06 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 8.31 4.01 0.00 3.18 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 F 8.57 3.91 0.00 3.31 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.42 4.00 0.00 1.93 1.70 0.83 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 102 L 7.93 3.96 0.00 1.84 1.51 1.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 103 K 7.56 3.64 0.00 1.50 1.46 0.00 1.43 0.00 0.00 1.33 0.00 0.00 2.88 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.97 0.58 7.81 104 L 7.79 3.58 0.00 1.36 1.56 0.47 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.13 4.07 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 7.65 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 R 6.98 4.08 0.00 1.28 1.41 0.00 2.98 0.00 0.00 3.06 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.50 0.00 108 W 7.73 5.19 0.00 3.14 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 P 0.00 4.53 0.00 2.30 2.07 0.00 3.94 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.18 0.00 110 V 7.89 4.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.52 0.00 0.00 111 K 9.19 4.52 0.00 1.96 1.82 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.39 7.81 112 T 7.82 5.29 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 113 V 8.78 5.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.98 0.00 0.00 114 H 9.72 5.41 0.00 3.22 3.29 0.00 5.61 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 T 7.78 4.97 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 116 D 9.23 4.68 0.00 2.94 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 N 7.74 4.64 0.00 2.64 2.51 0.00 0.00 6.95 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 G 8.32 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 S 7.91 4.23 0.00 3.99 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 N 7.96 4.20 0.00 2.15 2.50 0.00 0.00 6.82 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 F 8.00 5.36 0.00 3.02 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 T 7.63 4.39 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 123 S 7.93 4.33 0.00 4.11 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 T 8.51 3.90 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 125 T 7.85 3.90 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 126 V 7.65 3.64 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.12 0.00 0.00 127 K 8.03 4.11 0.00 1.97 1.92 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.54 1.67 7.81 128 A 8.40 4.40 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 8.00 4.17 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *131 W 7.90 4.71 0.00 3.47 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 W 8.99 3.00 0.00 3.48 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 A 8.31 4.03 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 G 7.34 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 I 7.71 4.57 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.62 0.85 0.00 0.00 136 K 8.83 4.67 0.00 1.68 1.70 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.37 7.81 137 Q 8.37 4.41 0.00 1.97 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.94 0.00 0.00 0.00 0.00 0.00 1.67 2.45 0.00 138 E 8.74 4.13 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 139 F 8.85 5.06 0.00 3.09 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 8.25 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.40 4.28 1.51 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.70 0.84 0.00 0.00 142 P 0.00 4.65 0.00 2.08 2.05 0.00 3.65 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 143 Y 8.40 4.72 0.00 2.92 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 N 7.32 4.64 0.00 2.57 2.58 0.00 0.00 7.00 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *152 E 8.14 3.98 0.00 1.92 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.36 0.00 153 S 8.71 3.65 0.00 3.95 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 7.54 4.15 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.56 0.00 155 N 8.12 4.27 0.00 2.73 2.87 0.00 0.00 7.19 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 K 7.59 4.00 0.00 1.97 1.85 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.44 7.81 157 E 7.88 3.92 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 158 L 8.69 3.98 0.00 1.77 1.70 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 159 K 8.12 4.06 0.00 2.10 1.85 0.00 1.85 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.52 7.81 160 K 8.26 3.89 0.00 1.92 2.04 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.45 1.50 7.81 161 I 7.65 4.02 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.96 0.00 0.00 162 I 8.29 3.84 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.15 0.92 0.00 0.00 163 G 8.15 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 Q 8.09 4.19 0.00 2.34 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.64 0.00 0.00 0.00 0.00 0.00 2.39 2.65 0.00 165 V 7.59 4.27 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.04 0.00 0.00 166 R 7.75 3.88 0.00 2.13 1.95 0.00 3.14 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 167 D 7.98 4.46 0.00 2.80 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 Q 8.02 4.13 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 169 A 7.33 4.67 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 E 8.84 3.98 0.00 1.85 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.23 0.00 171 H 7.77 4.82 0.00 3.22 3.18 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 L 8.60 4.01 0.00 1.94 1.69 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 173 K 8.08 3.99 0.00 2.05 2.08 0.00 1.56 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.55 7.81 174 T 7.89 3.89 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 175 A 7.83 4.01 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 V 8.15 3.56 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.03 0.00 0.00 177 Q 7.95 4.08 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.66 2.59 0.00 178 M 8.27 4.03 0.00 2.05 2.27 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.46 0.00 179 A 8.37 4.02 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 V 8.17 3.56 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.00 0.00 0.00 181 F 8.51 4.10 0.00 3.25 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 I 8.26 3.87 2.11 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.10 0.98 0.00 0.00 183 H 8.43 4.05 0.00 3.12 3.49 0.00 5.75 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 N 8.54 4.50 0.00 2.79 2.90 0.00 0.00 7.03 8.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 K 7.49 4.18 0.00 1.55 1.67 0.00 0.83 0.00 0.00 1.32 0.00 0.00 2.59 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.02 0.68 7.81 186 K 7.40 3.98 0.00 1.98 1.66 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.42 7.81 187 R 8.46 4.33 0.00 1.85 1.95 0.00 3.30 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.63 0.00 188 K 8.06 4.38 0.00 1.67 1.70 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.30 7.81 *193 G 7.70 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 Y 7.68 4.91 0.00 2.94 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 S 9.10 4.79 0.00 4.17 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 A 8.63 4.10 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 G 8.49 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 E 8.39 4.07 0.00 2.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 199 R 8.37 4.06 0.00 2.05 2.00 0.00 3.13 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.93 0.00 200 I 7.90 3.44 1.42 0.00 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.78 0.44 0.00 0.00 201 V 7.42 3.73 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.05 0.00 0.00 202 D 8.29 4.34 0.00 3.04 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 I 8.17 3.70 1.89 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.05 0.91 0.00 0.00 204 I 7.87 3.78 2.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.88 1.05 0.00 0.00 205 A 8.43 4.17 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 T 8.16 3.87 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 207 D 7.80 4.45 0.00 2.88 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 I 7.25 4.03 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.69 0.92 0.00 0.00 209 Q 7.51 4.25 0.00 2.17 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.55 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.